SCHEMBL9961407

SCHEMBL9961407

O=c1cc(Br)c2c([nH]1)CCN(Cc1ccccc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.51
ACHE P22303 4/20 0.49
AKR1B1 P15121 1/20 0.46
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRA2 P47869 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
HPGD P15428 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
MAPT P10636 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9961398 0.84 SLC6A5 (0.51) SLC6A5ACHEAKR1B1TSHRHTT
SCHEMBL17984233 0.78 ACHE (0.60) SLC6A5ACHEAKR1B1KDM4EALDH1A1
SCHEMBL4312715 0.77 SLC6A5 (0.82) SLC6A5ACHEAKR1B1KDM4EALDH1A1
SCHEMBL30474223 0.75 SLC6A5 (0.63) SLC6A5ACHETSHRHTTKDM4E
SCHEMBL6484098 0.75 ACHE (0.57) SLC6A5ACHEAKR1B1SIGMAR1
SCHEMBL23074897 0.75 SLC6A5 (0.62) SLC6A5ACHEAKR1B1KDM4EALDH1A1
SCHEMBL9961405 0.74 ALDH1A1 (0.47) SLC6A5ACHETSHRHTTKDM4E
SCHEMBL16264682 0.74 SLC6A5 (0.54) SLC6A5ACHEAKR1B1KDM4EALDH1A1
SCHEMBL7987270 0.72 GRIA1 (0.62) SLC6A5ACHEAKR1B1
SCHEMBL1015636 0.71 SLC6A5 (0.54) SLC6A5ACHEAKR1B1GABRA1GABRA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181133-B1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER (US) 2019-07-24 EP disclosed
EP-3181133-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS Pfizer Inc (US) 2017-06-21 EP disclosed
US-8536164-B2 Fused pyridine compounds as casein kinase inhibitors PFIZER INC. (US) 2013-09-17 US disclosed
US-8536164-B2 Fused pyridine compounds as casein kinase inhibitors PFIZER INC. (US) 2013-09-17 US disclosed
WO-2012085721-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER INC. (US) 2012-06-28 WO disclosed
US-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER INC 2012-06-21 US disclosed
US-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER INC 2012-06-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS CSNK1A1, CSNK1A1L, CSNK1E SLC6A5 4541/4885ACHE 387/4885AKR1B1 1747/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.